| SpectraBase Spectrum ID |
F9860fP0M4a |
| Name |
Methyl 4-[5'-benzylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.130362719 u |
| Formula |
C21H21N3O3S |
| InChI |
InChI=1S/C21H21N3O3S/c1-27-19(26)14-8-13-18(25)20-23-24(17-11-6-3-7-12-17)21(28-20)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3/b22-21- |
| InChIKey |
ZCUTVKCWCTZKRY-DQRAZIAOSA-N |
| Molecular Weight |
395.477 g/mol |
| SMILES |
C=1(S\C(N(N1)C=1C=CC=CC1)=N/CC1=CC=CC=C1)C(=O)CCCC(=O)OC |
![Methyl 4-[5'-benzylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate](/api/spectrum/F9860fP0M4a/structure.png?h=300&w=458 "Methyl 4-[5'-benzylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate")
